Re: AMBER: chemical potential

From: David A. Case <>
Date: Wed, 30 Jul 2003 09:31:34 -0700

On Wed, Jul 30, 2003, wrote:

> I think it is possible to calculate the chemical
> potential by the Gibbs Ensemble Monte Carlo Method.

This is certianly possible, but there is no routine inside Amber to
automatically carry this out; you would have to do some programming.

...good luck...dac

David A. Case                     |  e-mail:
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
10550 N. Torrey Pines Rd.         |  home page:                   
La Jolla CA 92037  USA            |
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Received on Wed Jul 30 2003 - 17:53:02 PDT
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